(Q105346908)

English

Prosapogenin

group of stereoisomers with the chemical formula C₄₂H₆₆O₁₇

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

842.430000652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₆O₁₇

0 references

canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)CC3C4=CCC5C6(C)CC(O)C(O)C(C(=O)OC7OC(CO)C(O)C(O)C7O)(C)C6CCC5(C)C4(CO)CC2

0 references

found in taxon

Gymnema sylvestre

1 reference

stated in

Pregnane Glycosides fromGymnema alternifolium

Identifiers

InChI

InChI=1S/C42H66O17/c1-37(2)10-11-41(36(55)59-34-31(52)29(50)27(48)23(17-44)57-34)12-13-42(18-45)19(20(41)14-37)6-7-24-38(3)15-21(46)32(53)40(5,25(38)8-9-39(24,42)4)35(54)58-33-30(51)28(49)26(47)22(16-43)56-33/h6,20-34,43-53H,7-18H2,1-5H3

0 references

InChIKey

YDQIRODFTJGGMP-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YDQIRODFTJGGMP-UHFFFAOYSA-N

ChEBI ID

189965

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C42H66O17/c1-37(2)10-11-41(36(55)59-34-31(52)29(50)27(48)23(17-44)57-34)12-13-42(18-45)19(20(41)14-37)6-7-24-38(3)15-21(46)32(53)40(5,25(38)8-9-39(24,42)4)35(54)58-33-30(51)28(49)26(47)22(16-43)56-33/h6,20-34,43-53H,7-18H2,1-5H3

1 reference

Human Metabolome Database ID

HMDB0255790

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YDQIRODFTJGGMP-UHFFFAOYSA-N

(Q105346908)

Prosapogenin

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Identifiers

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